HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=128",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=126",
"results": [
{
"id": "jvasp-112081",
"created_at": "2022-09-04T14:38:43.911680Z",
"updated_at": "2022-09-04T14:38:43.911717Z",
"structure_string": "Ti1 H22 C12 O4\n1.0\n4.918283 -0.125004 0.828402\n-0.471792 6.851110 1.955817\n-0.078281 0.012055 10.151205\nTi H C O\n1 22 12 4\ndirect\n0.587903 0.299680 0.119022 Ti\n0.047185 0.794705 0.508540 H\n0.268889 0.188402 0.373527 H\n0.398257 0.979666 0.323398 H\n0.278394 0.544909 0.977175 H\n0.413979 0.390483 0.874290 H\n0.912460 0.607741 0.662953 H\n0.127706 0.098896 0.247647 H\n0.632938 0.460431 0.515607 H\n-0.010741 0.443734 0.483260 H\n0.062711 0.706421 0.270570 H\n0.630083 0.589116 0.890443 H\n0.632188 0.165855 0.749030 H\n0.730050 0.786475 0.306624 H\n0.104041 0.109946 0.736358 H\n0.044317 0.860452 0.746181 H\n0.817527 0.775770 0.987769 H\n0.141388 0.908486 0.972142 H\n0.514656 0.813378 0.488381 H\n0.484922 0.089360 0.560914 H\n0.839878 0.088202 0.516984 H\n0.521164 0.915457 0.814392 H\n0.464385 0.712452 0.669167 H\n0.937776 0.917860 0.943784 C\n0.680545 0.020193 0.739620 C\n0.957930 -0.020586 0.783506 C\n0.613554 0.801616 0.579230 C\n0.659089 0.009800 0.592644 C\n0.848078 0.658603 0.318389 C\n0.795223 0.061020 0.006241 C\n0.867989 0.690270 0.561026 C\n0.737136 0.529613 0.242613 C\n0.313796 0.120642 0.288634 C\n0.460070 0.476787 0.943694 C\n0.831962 0.547647 0.474603 C\n0.879488 0.395280 0.210985 O\n0.928701 0.215293 0.015259 O\n0.538260 0.041377 0.052043 O\n0.502218 0.540394 0.207204 O\n",
"nsites": 39,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.3514151365029377,
"density_atomic": 0.11410314635441576,
"volume": 341.7960086644947,
"volume_molar": 5.2778042958558125,
"formula_full": "Ti1 H22 C12 O4",
"formula_reduced": "TiH22(C3O)4",
"formula_anonymous": "AB4C12D22",
"energy_above_hull": 4.727621085470086,
"spacegroup": 1
},
{
"id": "jvasp-12213",
"created_at": "2022-09-04T14:38:09.228860Z",
"updated_at": "2022-09-04T14:38:09.228894Z",
"structure_string": "Cr2 B2 O6\n1.0\n4.174062 -0.003102 3.518731\n1.634082 3.840909 3.518731\n-0.004694 -0.003102 5.459325\nCr B O\n2 2 6\ndirect\n0.500000 0.500001 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750001 0.750000 B\n0.250000 0.250000 0.250000 B\n0.449726 0.050275 0.750000 O\n0.749999 0.449726 0.050275 O\n0.949725 0.250001 0.550275 O\n0.550274 0.949726 0.250000 O\n0.250000 0.550275 0.949725 O\n0.050274 0.750001 0.449725 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"B",
"O"
],
"chemical_system": "B-Cr-O",
"density": 4.19873288874569,
"density_atomic": 0.11409815450346712,
"volume": 87.64383651530602,
"volume_molar": 5.278035202416007,
"formula_full": "Cr2 B2 O6",
"formula_reduced": "CrBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.042778096666666,
"spacegroup": 167
},
{
"id": "jvasp-112104",
"created_at": "2022-09-04T14:38:44.508949Z",
"updated_at": "2022-09-04T14:38:44.508973Z",
"structure_string": "Sn1 H20 C11 O4\n1.0\n5.140604 0.039453 -0.448142\n-0.092959 6.486453 -0.911936\n0.167084 0.042248 9.441153\nSn H C O\n1 20 11 4\ndirect\n0.912569 0.924884 0.106166 Sn\n0.174916 0.460960 0.510341 H\n0.287330 0.042928 0.309664 H\n-0.028104 0.086574 0.379691 H\n0.811574 0.575408 0.929159 H\n0.005708 0.742844 0.841857 H\n0.293534 0.602159 0.674333 H\n0.095634 0.264875 0.271286 H\n0.709374 0.674800 0.565206 H\n0.428068 0.773316 0.479513 H\n0.661729 0.788563 0.854300 H\n0.716807 0.379160 0.365389 H\n0.409596 0.029936 0.716538 H\n0.161642 0.092495 0.592455 H\n0.576383 0.220978 0.533415 H\n0.641193 0.354759 0.706509 H\n0.433189 0.459260 0.930379 H\n0.163863 0.402120 0.024667 H\n0.028931 0.390003 0.766673 H\n0.990494 0.149185 0.824699 H\n0.414703 0.464806 0.291014 H\n0.295950 0.337096 0.943267 C\n0.136829 0.259799 0.802592 C\n0.483357 0.307766 0.624517 C\n0.297434 0.160245 0.681341 C\n0.597072 0.514577 0.352663 C\n0.438872 0.160654 0.001510 C\n0.354001 0.502536 0.578698 C\n0.733703 0.650944 0.265397 C\n0.092375 0.104191 0.290961 C\n0.839342 0.732607 0.906278 C\n0.528916 0.630187 0.498504 C\n0.603139 0.803864 0.223055 O\n0.318647 0.994655 0.006363 O\n0.683130 0.186180 0.042046 O\n0.967169 0.622292 0.232363 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.7629613236432367,
"density_atomic": 0.11409641381995128,
"volume": 315.52262507399615,
"volume_molar": 5.278115725445307,
"formula_full": "Sn1 H20 C11 O4",
"formula_reduced": "SnH20C11O4",
"formula_anonymous": "AB4C11D20",
"energy_above_hull": 4.586556547222222,
"spacegroup": 1
},
{
"id": "jvasp-101978",
"created_at": "2022-09-04T14:37:51.400936Z",
"updated_at": "2022-09-04T14:37:51.400961Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.923134 -0.089140 -0.367774\n-0.738019 4.298334 -0.126764\n-0.465087 -0.064299 13.092116\nH Pb C O\n12 1 8 4\ndirect\n0.534230 0.273074 0.567060 H\n0.085086 0.111352 0.560451 H\n0.081375 0.155365 0.161089 H\n0.653471 0.106004 0.193539 H\n0.405852 0.724505 0.468357 H\n0.347448 0.220436 0.359274 H\n0.231836 0.681428 0.262046 H\n0.802871 0.623384 0.292900 H\n0.994463 0.638181 0.067644 H\n0.575148 0.602440 0.104367 H\n-0.041493 0.624528 0.480507 H\n0.906115 0.120616 0.377936 H\n-0.005572 0.876777 0.826367 Pb\n0.261024 0.502821 0.666173 C\n0.274021 0.333116 0.565086 C\n0.190786 0.523576 0.471455 C\n0.117449 0.322166 0.370750 C\n0.010384 0.497812 0.276278 C\n0.878834 0.284142 0.179192 C\n0.771663 0.466346 0.086163 C\n0.608055 0.262673 0.990466 C\n0.047005 0.376741 0.725419 O\n0.446570 0.775304 0.688733 O\n0.688015 0.346541 0.901642 O\n0.391761 0.012634 -0.000386 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.875007763954805,
"density_atomic": 0.1140925379228939,
"volume": 219.12037767882347,
"volume_molar": 5.278295031064949,
"formula_full": "H12 Pb1 C8 O4",
"formula_reduced": "H12Pb(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.5315517928,
"spacegroup": 1
},
{
"id": "jvasp-42329",
"created_at": "2022-09-04T14:36:01.399277Z",
"updated_at": "2022-09-04T14:36:01.399302Z",
"structure_string": "Li5 V2 Ni3 O10\n1.0\n5.026856 0.075059 0.064183\n1.010888 5.102818 0.136337\n2.543646 2.340960 6.942693\nLi V Ni O\n5 2 3 10\ndirect\n0.210355 0.492861 0.610550 Li\n0.406493 0.493140 0.201176 Li\n0.500001 0.000000 0.500000 Li\n0.593509 0.506861 0.798824 Li\n0.789647 0.507140 0.389450 Li\n0.102809 0.975721 0.314393 V\n0.897193 0.024280 0.685607 V\n0.696482 0.008405 0.101792 Ni\n0.303520 0.991596 0.898208 Ni\n0.000000 0.500000 0.000000 Ni\n0.675829 0.756194 0.947299 O\n0.054696 0.783531 0.166521 O\n0.324173 0.243806 0.052701 O\n0.140932 0.228792 0.450846 O\n0.219645 0.747869 0.763299 O\n0.432425 0.773317 0.349867 O\n0.567577 0.226684 0.650132 O\n0.780357 0.252131 0.236700 O\n0.859070 0.771209 0.549154 O\n0.945306 0.216470 0.833478 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"V",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-V",
"density": 4.477278010657491,
"density_atomic": 0.1140890826943638,
"volume": 175.30161105404378,
"volume_molar": 5.278454886111119,
"formula_full": "Li5 V2 Ni3 O10",
"formula_reduced": "Li5V2Ni3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.3945550300000003,
"spacegroup": 2
},
{
"id": "jvasp-112093",
"created_at": "2022-09-04T14:38:44.005383Z",
"updated_at": "2022-09-04T14:38:44.005393Z",
"structure_string": "H12 C14 O4\n1.0\n5.914565 -0.027223 2.308017\n0.687643 4.969047 3.361943\n0.249072 -0.184402 8.924809\nH C O\n12 14 4\ndirect\n0.128906 0.964201 0.553590 H\n0.406866 0.254453 0.864424 H\n0.406865 0.754453 0.364424 H\n0.684250 0.275099 0.517120 H\n0.960650 0.576149 0.817321 H\n0.960651 0.076149 0.317321 H\n0.684248 0.775100 0.017120 H\n0.068680 0.920594 0.819329 H\n0.038288 0.118641 0.922661 H\n0.038288 0.618640 0.422661 H\n0.128906 0.464199 0.053590 H\n0.068681 0.420593 0.319328 H\n0.698502 0.898353 0.334623 C\n0.465392 0.370235 0.897575 C\n0.465393 0.870235 0.397574 C\n0.311083 0.487893 0.003783 C\n0.311082 0.987895 0.503783 C\n0.698503 0.398353 0.834623 C\n0.392705 0.629193 0.048451 C\n0.625316 0.164288 0.480218 C\n0.778306 0.550947 0.871187 C\n0.778306 0.050946 0.371187 C\n0.625316 0.664289 0.980217 C\n0.051839 0.622347 0.295434 C\n0.051843 0.122347 0.795434 C\n0.392705 0.129193 0.548451 C\n0.847840 0.764553 0.237760 O\n0.252092 0.243536 0.659835 O\n0.252092 0.743537 0.159834 O\n0.847840 0.264553 0.737760 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5423445113326264,
"density_atomic": 0.11408590526686369,
"volume": 262.9597401171126,
"volume_molar": 5.278601897327569,
"formula_full": "H12 C14 O4",
"formula_reduced": "H6C7O2",
"formula_anonymous": "A2B6C7",
"energy_above_hull": 5.1624398000000005,
"spacegroup": 1
},
{
"id": "jvasp-95531",
"created_at": "2022-09-04T14:36:17.919131Z",
"updated_at": "2022-09-04T14:36:17.919153Z",
"structure_string": "Mg4 Al8 O16\n1.0\n2.808374 0.000000 0.000000\n-0.000000 8.731150 0.000000\n0.000000 0.000000 10.010210\nMg Al O\n4 8 16\ndirect\n0.250000 0.254523 0.151916 Mg\n0.749999 0.745477 0.848084 Mg\n0.250000 0.754523 0.348084 Mg\n0.749999 0.245477 0.651916 Mg\n0.250000 0.912902 0.603475 Al\n0.250000 0.412902 0.896525 Al\n0.749999 0.587098 0.103475 Al\n0.749999 0.558787 0.616814 Al\n0.250000 0.441213 0.383186 Al\n0.749999 0.058787 0.883186 Al\n0.250000 0.941213 0.116814 Al\n0.749999 0.087098 0.396525 Al\n0.250000 0.700826 0.668817 O\n0.749999 0.299174 0.331183 O\n0.250000 0.911523 0.929585 O\n0.749999 0.879886 0.470541 O\n0.250000 0.120114 0.529459 O\n0.749999 0.379886 0.029459 O\n0.250000 0.620114 0.970541 O\n0.749999 0.463279 0.783620 O\n0.250000 0.536721 0.216380 O\n0.749999 0.963279 0.716380 O\n0.250000 0.036721 0.283620 O\n0.749999 0.588477 0.429585 O\n0.250000 0.411523 0.570415 O\n0.749999 0.088477 0.070415 O\n0.749999 0.799174 0.168817 O\n0.250000 0.200826 0.831183 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Al",
"O"
],
"chemical_system": "Al-Mg-O",
"density": 3.8498130714835876,
"density_atomic": 0.11407446740725057,
"volume": 245.45369911777755,
"volume_molar": 5.279131164821229,
"formula_full": "Mg4 Al8 O16",
"formula_reduced": "MgAl2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5289655214285711,
"spacegroup": 62
},
{
"id": "jvasp-119721",
"created_at": "2022-09-04T14:38:51.829497Z",
"updated_at": "2022-09-04T14:38:51.829524Z",
"structure_string": "Li4 V1 Cr3 O8\n1.0\n5.018082 0.008884 -0.000198\n0.820162 4.822157 1.450613\n-0.000705 -0.000202 5.798048\nLi V Cr O\n4 1 3 8\ndirect\n0.000560 0.996263 0.001865 Li\n0.499440 0.003737 0.248131 Li\n0.002844 0.000967 0.498494 Li\n0.497154 0.999034 0.751502 Li\n0.749999 0.499999 0.625000 V\n0.250295 0.499774 0.378208 Cr\n0.249704 0.500226 0.871793 Cr\n0.750000 0.499999 0.125000 Cr\n0.119866 0.276745 0.180569 O\n0.380133 0.723256 0.069431 O\n0.621801 0.267820 0.431582 O\n0.878197 0.732180 0.818418 O\n0.879049 0.731875 0.315504 O\n0.620950 0.268126 0.934496 O\n0.126750 0.264942 0.684111 O\n0.373249 0.735060 0.565888 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 4.293869525351299,
"density_atomic": 0.11407365184243684,
"volume": 140.26025941643255,
"volume_molar": 5.279168907749202,
"formula_full": "Li4 V1 Cr3 O8",
"formula_reduced": "Li4VCr3O8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 3.036660275,
"spacegroup": 2
},
{
"id": "jvasp-111146",
"created_at": "2022-09-04T14:38:38.450537Z",
"updated_at": "2022-09-04T14:38:38.450577Z",
"structure_string": "Li2 Mn1 Cr1 O4\n1.0\n3.704813 -0.031720 -3.571962\n-0.690789 3.639896 -3.572086\n0.026640 0.031718 5.146281\nLi Mn Cr O\n2 1 1 4\ndirect\n0.250016 0.750015 0.500005 Li\n0.500003 0.500010 0.000001 Li\n0.000001 0.000008 0.000009 Mn\n0.749996 0.250000 0.500001 Cr\n0.516601 0.016600 0.499992 O\n0.231174 0.231166 0.999995 O\n0.983385 0.483391 0.499995 O\n0.768822 0.768815 0.000002 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.37584001562735,
"density_atomic": 0.11406911115384914,
"volume": 70.13292134108164,
"volume_molar": 5.27937905282502,
"formula_full": "Li2 Mn1 Cr1 O4",
"formula_reduced": "Li2MnCrO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.6546248301724136,
"spacegroup": 119
},
{
"id": "jvasp-25289",
"created_at": "2022-09-04T14:37:55.645626Z",
"updated_at": "2022-09-04T14:37:55.645638Z",
"structure_string": "C2\n1.0\n1.801408 2.473372 9.062294\n-0.706943 1.523893 3.156622\n-1.420586 -2.284067 -4.141944\nC\n2\ndirect\n0.833386 0.333046 0.000000 C\n0.166615 0.666950 0.000000 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.2747407938954756,
"density_atomic": 0.1140550447358332,
"volume": 17.535392710004793,
"volume_molar": 5.280030159076336,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.0036100000000001,
"spacegroup": 166
},
{
"id": "jvasp-108143",
"created_at": "2022-09-04T14:38:18.158622Z",
"updated_at": "2022-09-04T14:38:18.158635Z",
"structure_string": "Cr1 Fe3 B2\n1.0\n4.031597 0.031220 3.030213\n2.449400 3.213977 1.042242\n-0.009326 0.018759 4.072454\nCr Fe B\n1 3 2\ndirect\n0.157922 0.842078 0.157922 Cr\n0.835926 0.164073 0.835926 Fe\n0.662031 0.661219 0.338780 Fe\n0.338781 0.337969 0.662031 Fe\n0.752668 0.747332 0.752668 B\n0.252669 0.247331 0.252668 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"B"
],
"chemical_system": "B-Cr-Fe",
"density": 7.611824130500305,
"density_atomic": 0.11405072471408062,
"volume": 52.608170750704964,
"volume_molar": 5.2802301564476695,
"formula_full": "Cr1 Fe3 B2",
"formula_reduced": "CrFe3B2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.3979531777777785,
"spacegroup": 42
},
{
"id": "jvasp-112005",
"created_at": "2022-09-04T14:38:41.637272Z",
"updated_at": "2022-09-04T14:38:41.637299Z",
"structure_string": "H22 C26 N2\n1.0\n4.868453 -0.119245 1.410238\n2.006207 7.694148 2.216424\n-0.030276 -0.117159 11.596943\nH C N\n22 26 2\ndirect\n0.237018 0.637580 0.559427 H\n0.464704 0.792477 0.052233 H\n0.001595 0.469167 0.979724 H\n0.772346 0.624892 0.386596 H\n0.022104 0.104196 0.393237 H\n0.560801 0.411191 0.355948 H\n0.292851 0.316256 0.276412 H\n0.590649 0.333617 0.053452 H\n0.843515 0.173587 0.125316 H\n0.195438 0.693382 0.005377 H\n0.647319 0.027344 0.062243 H\n0.829829 0.870475 0.380122 H\n0.559860 0.093115 0.477222 H\n0.400476 0.213656 0.891241 H\n0.606891 0.714496 0.888960 H\n0.418243 0.479286 0.874766 H\n0.191370 -0.002490 0.862943 H\n0.886289 0.920657 0.778914 H\n0.182895 0.941072 0.554537 H\n0.435417 0.780652 0.625976 H\n0.775655 0.306599 0.505874 H\n0.061225 0.398910 0.549940 H\n0.825705 0.592556 0.296206 C\n0.011162 0.902343 0.310246 C\n0.705819 0.469715 0.279199 C\n0.345831 0.087265 0.228555 C\n0.008209 0.675916 0.199370 C\n0.357894 0.862661 0.125976 C\n0.126327 0.812608 0.212795 C\n0.465979 0.996388 0.132148 C\n0.066341 0.628053 0.085038 C\n0.953569 0.502494 0.069530 C\n0.118209 0.035220 0.318068 C\n0.770327 0.421162 0.165984 C\n0.663170 0.284113 0.140627 C\n0.439443 0.188451 0.799486 C\n0.954587 0.468311 0.624320 C\n0.651435 0.237516 0.585165 C\n0.058905 0.603892 0.630289 C\n0.724805 0.416868 0.711772 C\n0.362139 0.027374 0.667818 C\n0.608014 0.278527 0.700437 C\n0.937102 0.694573 0.726948 C\n0.318911 0.065156 0.783432 C\n0.603113 0.509574 0.807211 C\n0.706386 0.643892 0.814860 C\n0.254814 0.891061 0.641639 C\n0.529522 0.116770 0.568976 C\n0.038186 0.827418 0.739655 N\n0.446517 0.221629 0.239455 N\n",
"nsites": 50,
"nelements": 3,
"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 1.3727700770996043,
"density_atomic": 0.11403839604427166,
"volume": 438.4488184189222,
"volume_molar": 5.280801001148861,
"formula_full": "H22 C26 N2",
"formula_reduced": "H11C13N",
"formula_anonymous": "AB11C13",
"energy_above_hull": 5.71794693,
"spacegroup": 1
}
]
}